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Teng YANG
Recent content by Teng YANG
T
Mulliken Population when using double zeta basis
Is there anyone who can help me? I was bothered by the negative occupation in atomic orbital like 5p here. I don't understand what it means. By the way, 6.00 here is the total number of charges. # 5s 5s 5py 5pz 5px 5py 5pz 5px 4dxy 4dyz...
Teng YANG
Thread
Jul 25, 2005
Tags
Basis
population
Replies: 2
Forum:
Atomic and Condensed Matter
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Teng YANG
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